N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H17ClN4 — CID 61240321

IUPACN-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2cc(N)ccc2Cl)ncn1
InChIInChI=1S/C14H17ClN4/c1-3-12-7-14(18-9-17-12)19(2)8-10-6-11(16)4-5-13(10)15/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKKZMCROZDWCLBY-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.91
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine

N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 61240321) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID61240321
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2cc(N)ccc2Cl)ncn1
InChIInChI=1S/C14H17ClN4/c1-3-12-7-14(18-9-17-12)19(2)8-10-6-11(16)4-5-13(10)15/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKKZMCROZDWCLBY-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829899
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555
N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65275542
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584134
3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 61234578
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 61240321) is N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1cc(N(C)Cc2cc(N)ccc2Cl)ncn1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is KKZMCROZDWCLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-12-7-14(18-9-17-12)19(2)8-10-6-11(16)4-5-13(10)15/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine?
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 61240321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).